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Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-di-yl)dibenzoate monohydrate.

ABSTRACT: The title salt, C8H22N22+·C14H8N2O42-·H2O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4'-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4'-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22?(4)°] and a water mol-ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C-C-C-N gauche conformation. In the crystal, the cations, anions and water mol-ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Elkin I 

PROVIDER: S-EPMC5947496 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-di-yl)dibenzoate monohydrate.

Elkin Igor I   Maris Thierry T   Christopherson Jan-Constantin JC   Borchers Tristan H TH   Barrett Christopher J CJ  

Acta crystallographica. Section E, Crystallographic communications 20180427 Pt 5

The title salt, C<sub>8</sub>H<sub>22</sub>N<sub>2</sub><sup>2+</sup>·C<sub>14</sub>H<sub>8</sub>N<sub>2</sub>O<sub>4</sub><sup>2-</sup>·H<sub>2</sub>O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4'-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetr  ...[more]

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